MolNFT v1 · #151583 · protein
Crystal structure of an ABC transporter related protein from burkholderia pseudomallei
6HS3 · ABC transporter family protein: “Crystal structure of an ABC transporter related protein from burkholderia pseudomallei”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.66). MolNFT v1 #151583 on GenesisL1: 3D…
- PDB
- 6HS3
- Type
- protein
- Length
- 493 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter family protein
- UniProt
- A0A069AY91
- Ligands
- CL
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter family protein | protein | 246 | 37% helix, 27% strand | A0A069AY91 |
| B | ABC transporter family protein | protein | 247 | 37% helix, 26% strand | A0A069AY91 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 325 | 0.66 | 0.81 | 45 | empty |
| 2 | 216 | 0.55 | 0.78 | 21 | empty |
| 3 | 137 | 0.52 | 0.80 | 28 | empty |
| 4 | 153 | 0.46 | 0.76 | 17 | empty |
| 5 | 114 | 0.43 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 687 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6HS3 · Crystal structure of an ABC transporter related protein from Burkholderia pseudomallei · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A069AY91
- Elsewhere: RCSB PDB 6HS3 · PDBe 6HS3 · UniProt A0A069AY91
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